[gmx-users] trjconv stops abruptly

[Anton Feenstra]

Ashish Gupta wrote:

> Hi all,
>   I am having a strange problem with trjconv command. I give the following
> command to convert traj.trr to a gro file
> trjconv -s refine.tpr -f traj.trr -o refine.gro
> then I select the group number, the coordinates of which I want to extract
> to gro file. Is there any reason for trjconv to stop at some frame before
> the last saved frame in the traj.trr file ? In my case, it stops at some
> frame in the middle of the trajectory.
> I checked my disk space but that doesn't seem to be the problem and
> trjconv does not report any error.
> I shall highly appreciate any insight in this regard

Here it comes ;-)

In the trjconv command you write above, you will write *all* frames from 
your trr to your .gro file. This may not be what you want, and can 
generate a *huge* .gro file. Possibly, writing to the .gro file stops 
when it reaches the common '2Gb' limit.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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